Basic information
- Standard SMILES
COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1CBr- InChIKey
GGVNETKUSXUOKE-UHFFFAOYSA-N- Molecular formula
- C15H12BrNO4
- Average molar mass
- 350.16 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(bromomethyl)-4'-nitrobiphenyl-3-carboxylate
- IUPAC
- methyl 2-(bromomethyl)-5-(4-nitrophenyl)benzoate
Names & synonyms
SCHEMBL2179195GGVNETKUSXUOKE-UHFFFAOYSA-NMethyl 4-(bromomethyl)-4'-nitrobiphenyl-3-carboxylate
Database identifiers
- PubChem CID
- 67306641
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
7 records
Compound notes
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